sodium 5-hydroxydecanoate

• ChemBase ID: 105655
• Molecular Formular: C10H19NaO3
• Molecular Mass: 210.24583
• Monoisotopic Mass: 210.12318875
• SMILES: [Na+].CCCCCC(O)CCCC(=O)[O-]
• Canonical SMILES: CCCCCC(CCCC(=O)[O-])O.[Na+]
• InChI: InChI=1S/C10H20O3.Na/c1-2-3-4-6-9(11)7-5-8-10(12)13;/h9,11H,2-8H2,1H3,(H,12,13);/q;+1/p-1
• InChIKey: YNAGNECWEKMWRM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 5-hydroxydecanoate
• IUPAC Traditional name: potassium 5-hydroxydecanoate; sodium 5-hydroxydecanoate
• Synonyms: 5-HYDROXYDECANOIC ACID SODIUM SALT; 5-hydroxydecanoate sodium salt; 5-Hydroxydecanoic acid sodium salt

Database IDs

• CAS Number: 71186-53-3; 624-00-0
• MDL Number: MFCD00153808
• PubChem SID: 24278479; 162092875
• PubChem CID: 23676659

CALCULATED PROPERTIES

• Acid pKa: 4.707692
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3459859
• LogD (pH = 7.4): -0.4317452
• Log P: 2.2024522
• Molar Refractivity: 61.9842 cm^3
• Polarizability: 20.180878 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: ethanol: soluble; H2O: >10 mg/mL
• Apperance: white solid

Safety Information

• Storage Condition: 2-8°C; desiccated
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97% (NMR)

DETAILS

MP Biomedicals - 02193664

Sodium Salt
A K^+ channel antagonist which blocks the post-ischemic effects of the K^+ channel activator cromakalim.

Sigma Aldrich - H135

Biochem/physiol Actions
Blocks post-ischemic actions of the K+ channel activator cromakalim.
Caution
Hygroscopic